5-bromo-3-fluoro-N-[(4-methyloxan-4-yl)methyl]pyridin-2-amine

C12H16BrFN2O — CID 104924712

IUPAC5-bromo-3-fluoro-N-[(4-methyloxan-4-yl)methyl]pyridin-2-amine
SMILESCC1(CNc2ncc(Br)cc2F)CCOCC1
InChIInChI=1S/C12H16BrFN2O/c1-12(2-4-17-5-3-12)8-16-11-10(14)6-9(13)7-15-11/h6-7H,2-5,8H2,1H3,(H,15,16)
InChIKeyOLTQKDSQZUEEBV-UHFFFAOYSA-N
MW303.17 g/mol
LogP3.21
Rot. Bonds3

About 5-bromo-3-fluoro-N-[(4-methyloxan-4-yl)methyl]pyridin-2-amine

5-bromo-3-fluoro-N-[(4-methyloxan-4-yl)methyl]pyridin-2-amine (PubChem CID 104924712) has the molecular formula C12H16BrFN2O and a molecular weight of 303.17 g/mol. Its IUPAC name is 5-bromo-3-fluoro-N-[(4-methyloxan-4-yl)methyl]pyridin-2-amine.

Molecular Properties

Compound Name5-bromo-3-fluoro-N-[(4-methyloxan-4-yl)methyl]pyridin-2-amine
PubChem CID104924712
Molecular FormulaC12H16BrFN2O
Molecular Weight303.17 g/mol
Exact Mass302.04
IUPAC Name5-bromo-3-fluoro-N-[(4-methyloxan-4-yl)methyl]pyridin-2-amine
SMILESCC1(CNc2ncc(Br)cc2F)CCOCC1
InChIInChI=1S/C12H16BrFN2O/c1-12(2-4-17-5-3-12)8-16-11-10(14)6-9(13)7-15-11/h6-7H,2-5,8H2,1H3,(H,15,16)
InChIKeyOLTQKDSQZUEEBV-UHFFFAOYSA-N
XLogP3.21
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.17
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-fluoro-N-[(4-methyloxan-4-yl)methyl]pyridin-2-amine?
The IUPAC name of 5-bromo-3-fluoro-N-[(4-methyloxan-4-yl)methyl]pyridin-2-amine (CID 104924712) is 5-bromo-3-fluoro-N-[(4-methyloxan-4-yl)methyl]pyridin-2-amine.
What is the SMILES notation for 5-bromo-3-fluoro-N-[(4-methyloxan-4-yl)methyl]pyridin-2-amine?
The canonical SMILES for 5-bromo-3-fluoro-N-[(4-methyloxan-4-yl)methyl]pyridin-2-amine is CC1(CNc2ncc(Br)cc2F)CCOCC1.
What is the InChIKey of 5-bromo-3-fluoro-N-[(4-methyloxan-4-yl)methyl]pyridin-2-amine?
The InChIKey is OLTQKDSQZUEEBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrFN2O/c1-12(2-4-17-5-3-12)8-16-11-10(14)6-9(13)7-15-11/h6-7H,2-5,8H2,1H3,(H,15,16).
What are the key properties of 5-bromo-3-fluoro-N-[(4-methyloxan-4-yl)methyl]pyridin-2-amine?
5-bromo-3-fluoro-N-[(4-methyloxan-4-yl)methyl]pyridin-2-amine has a molecular weight of 303.17 g/mol, XLogP of 3.21, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-fluoro-N-[(4-methyloxan-4-yl)methyl]pyridin-2-amine is sourced from PubChem (CID 104924712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).